| SpectraBase Spectrum ID |
EcqFXNApmA0 |
| Name |
Succinic acid, cyclohexylmethyl adamant-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c22-19(24-13-14-4-2-1-3-5-14)6-7-20(23)25-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-18,21H,1-13H2/t15-,16+,17-,18+,21? |
| InChIKey |
FXYYPDGIDRCHAR-NTJGTUKMSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
C(CC(OCC1CCCCC1)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811751 |
